ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-3-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C32H42O15

2-(3,4-Dimethoxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC32H42O15
  • Average mass666.667 Da
  • Monoisotopic mass666.252380 Da
  • ChemSpider ID9977220

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(3,4-Dimethoxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)ethyl-4-O-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-[(2E)-3-(3,4-Diméthoxyphényl)-2-propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside de 2-(3,4-diméthoxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dimethoxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-3-O-β-D-xylopyranosyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 840.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 263.9±27.8 °C
Index of Refraction: 1.609
Molar Refractivity: 163.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.67
ACD/KOC (pH 5.5): 163.37
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.67
ACD/KOC (pH 7.4): 163.37
Polar Surface Area: 201 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 471.0±5.0 cm3

Click to predict properties on the Chemicalize site


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